USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 620 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 59 ASN : amide:sc= 0.472 K(o=-0.98,f=-13!) USER MOD Set 1.2: A 62 ASN : amide:sc= -1.45 K(o=-0.98,f=-5.2!) USER MOD Set 2.1: A 47 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 49 HIS : no HD1:sc= -1.52 K(o=-1.5,f=-0.53) USER MOD Set 3.1: A 24 ASN : amide:sc= -1.55! K(o=-1!,f=-1.9) USER MOD Set 3.2: A 78 GLN : amide:sc= 0.505 K(o=-1,f=-1.9) USER MOD Set 4.1: A 13 SER OG : rot 30:sc= 0.722 USER MOD Set 4.2: A 16 SER OG : rot 180:sc= -0.537 USER MOD Set 4.3: A 56 GLN : amide:sc= 0.993 X(o=1.2,f=1.5) USER MOD Single : A 7 ASN : amide:sc= -0.348 K(o=-0.35,f=-1.9) USER MOD Single : A 8 LYS NZ :NH3+ -156:sc= -0.0787 (180deg=-0.393) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl 172:sc= -1.19 (180deg=-1.36) USER MOD Single : A 15 ASN : amide:sc= 0.889 K(o=0.89,f=-1.9) USER MOD Single : A 22 ASN : amide:sc= 0.753 K(o=0.75,f=-0.023) USER MOD Single : A 25 THR OG1 : rot -13:sc= 1.2 USER MOD Single : A 29 LYS NZ :NH3+ -169:sc= 0.956 (180deg=0.847) USER MOD Single : A 30 LYS NZ :NH3+ 173:sc= 0.69 (180deg=0.605) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot -29:sc= 0.289 USER MOD Single : A 39 LYS NZ :NH3+ -170:sc= 0.938 (180deg=0.767) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 CYS SG : rot 26:sc= -0.276 USER MOD Single : A 50 LYS NZ :NH3+ 176:sc= 0.396 (180deg=0.382) USER MOD Single : A 57 TYR OH : rot -4:sc= 0.623 USER MOD Single : A 74 MET CE :methyl -133:sc= -0.0651 (180deg=-0.788) USER MOD Single : A 83 ASN : amide:sc= 0.698 K(o=0.7,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 67 N ASN A 7 -4.412 11.441 6.048 1.00 0.00 N ATOM 68 CA ASN A 7 -5.001 11.634 7.362 1.00 0.00 C ATOM 69 C ASN A 7 -5.682 13.004 7.428 1.00 0.00 C ATOM 70 O ASN A 7 -6.474 13.320 6.545 1.00 0.00 O ATOM 71 CB ASN A 7 -3.952 11.375 8.446 1.00 0.00 C ATOM 72 CG ASN A 7 -4.562 11.187 9.825 1.00 0.00 C ATOM 73 OD1 ASN A 7 -5.768 11.301 10.010 1.00 0.00 O ATOM 74 ND2 ASN A 7 -3.718 10.892 10.807 1.00 0.00 N ATOM 0 HA ASN A 7 -5.792 10.908 7.549 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -3.378 10.486 8.184 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -3.252 12.210 8.474 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -4.067 10.752 11.755 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -2.720 10.806 10.613 1.00 0.00 H new ATOM 81 N LYS A 8 -5.380 13.809 8.453 1.00 0.00 N ATOM 82 CA LYS A 8 -6.101 15.034 8.791 1.00 0.00 C ATOM 83 C LYS A 8 -7.557 14.710 9.132 1.00 0.00 C ATOM 84 O LYS A 8 -8.003 13.573 8.975 1.00 0.00 O ATOM 85 CB LYS A 8 -5.971 16.085 7.685 1.00 0.00 C ATOM 86 CG LYS A 8 -4.621 16.810 7.642 1.00 0.00 C ATOM 87 CD LYS A 8 -3.460 15.898 7.245 1.00 0.00 C ATOM 88 CE LYS A 8 -2.718 15.344 8.466 1.00 0.00 C ATOM 89 NZ LYS A 8 -2.011 16.411 9.201 1.00 0.00 N ATOM 0 H LYS A 8 -4.604 13.617 9.087 1.00 0.00 H new ATOM 0 HA LYS A 8 -5.648 15.476 9.678 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -6.139 15.602 6.723 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -6.761 16.825 7.812 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -4.683 17.637 6.935 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -4.417 17.242 8.622 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -3.839 15.070 6.645 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -2.762 16.453 6.618 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -3.427 14.851 9.131 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -2.003 14.587 8.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -1.224 15.998 9.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -1.639 17.110 8.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -2.671 16.878 9.855 1.00 0.00 H new ATOM 103 N THR A 9 -8.313 15.702 9.604 1.00 0.00 N ATOM 104 CA THR A 9 -9.673 15.478 10.089 1.00 0.00 C ATOM 105 C THR A 9 -10.638 16.571 9.637 1.00 0.00 C ATOM 106 O THR A 9 -11.607 16.867 10.335 1.00 0.00 O ATOM 107 CB THR A 9 -9.682 15.326 11.613 1.00 0.00 C ATOM 108 OG1 THR A 9 -9.079 16.450 12.214 1.00 0.00 O ATOM 109 CG2 THR A 9 -8.914 14.070 12.035 1.00 0.00 C ATOM 0 H THR A 9 -8.004 16.672 9.660 1.00 0.00 H new ATOM 0 HA THR A 9 -10.027 14.547 9.645 1.00 0.00 H new ATOM 0 HB THR A 9 -10.719 15.241 11.938 1.00 0.00 H new ATOM 0 HG1 THR A 9 -9.090 16.346 13.188 1.00 0.00 H new ATOM 0 HG21 THR A 9 -8.932 13.980 13.121 1.00 0.00 H new ATOM 0 HG22 THR A 9 -9.381 13.191 11.590 1.00 0.00 H new ATOM 0 HG23 THR A 9 -7.881 14.143 11.694 1.00 0.00 H new ATOM 117 N ASP A 10 -10.387 17.176 8.473 1.00 0.00 N ATOM 118 CA ASP A 10 -11.247 18.227 7.945 1.00 0.00 C ATOM 119 C ASP A 10 -12.630 17.665 7.599 1.00 0.00 C ATOM 120 O ASP A 10 -12.756 16.488 7.264 1.00 0.00 O ATOM 121 CB ASP A 10 -10.585 18.869 6.724 1.00 0.00 C ATOM 122 CG ASP A 10 -9.284 19.568 7.100 1.00 0.00 C ATOM 123 OD1 ASP A 10 -9.366 20.701 7.619 1.00 0.00 O ATOM 124 OD2 ASP A 10 -8.218 18.957 6.860 1.00 0.00 O ATOM 0 H ASP A 10 -9.589 16.951 7.879 1.00 0.00 H new ATOM 0 HA ASP A 10 -11.385 18.996 8.705 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -10.385 18.105 5.973 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -11.269 19.588 6.273 1.00 0.00 H new ATOM 129 N PRO A 11 -13.677 18.500 7.673 1.00 0.00 N ATOM 130 CA PRO A 11 -15.063 18.086 7.513 1.00 0.00 C ATOM 131 C PRO A 11 -15.391 17.587 6.105 1.00 0.00 C ATOM 132 O PRO A 11 -16.477 17.051 5.889 1.00 0.00 O ATOM 133 CB PRO A 11 -15.885 19.327 7.859 1.00 0.00 C ATOM 134 CG PRO A 11 -14.945 20.484 7.534 1.00 0.00 C ATOM 135 CD PRO A 11 -13.588 19.924 7.941 1.00 0.00 C ATOM 0 HA PRO A 11 -15.284 17.236 8.158 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -16.801 19.378 7.271 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -16.180 19.333 8.908 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -14.975 20.748 6.477 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -15.198 21.384 8.095 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -12.783 20.384 7.369 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -13.381 20.116 8.994 1.00 0.00 H new ATOM 143 N ARG A 12 -14.474 17.749 5.148 1.00 0.00 N ATOM 144 CA ARG A 12 -14.667 17.235 3.796 1.00 0.00 C ATOM 145 C ARG A 12 -13.537 16.301 3.387 1.00 0.00 C ATOM 146 O ARG A 12 -13.613 15.675 2.333 1.00 0.00 O ATOM 147 CB ARG A 12 -14.878 18.393 2.812 1.00 0.00 C ATOM 148 CG ARG A 12 -13.649 19.292 2.634 1.00 0.00 C ATOM 149 CD ARG A 12 -12.663 18.719 1.613 1.00 0.00 C ATOM 150 NE ARG A 12 -11.552 19.647 1.381 1.00 0.00 N ATOM 151 CZ ARG A 12 -10.740 19.599 0.322 1.00 0.00 C ATOM 152 NH1 ARG A 12 -10.910 18.674 -0.619 1.00 0.00 N ATOM 153 NH2 ARG A 12 -9.754 20.482 0.196 1.00 0.00 N ATOM 0 H ARG A 12 -13.588 18.235 5.289 1.00 0.00 H new ATOM 0 HA ARG A 12 -15.573 16.629 3.776 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -15.160 17.985 1.842 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -15.714 19.002 3.157 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -13.968 20.283 2.313 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -13.147 19.414 3.594 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -12.276 17.765 1.971 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -13.180 18.522 0.674 1.00 0.00 H new ATOM 0 HE ARG A 12 -11.389 20.377 2.074 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -11.665 17.994 -0.535 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -10.285 18.645 -1.424 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -9.616 21.198 0.909 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -9.135 20.443 -0.614 1.00 0.00 H new ATOM 167 N SER A 13 -12.492 16.203 4.213 1.00 0.00 N ATOM 168 CA SER A 13 -11.382 15.293 3.965 1.00 0.00 C ATOM 169 C SER A 13 -11.681 13.932 4.594 1.00 0.00 C ATOM 170 O SER A 13 -11.210 12.904 4.111 1.00 0.00 O ATOM 171 CB SER A 13 -10.096 15.890 4.525 1.00 0.00 C ATOM 172 OG SER A 13 -9.007 15.032 4.250 1.00 0.00 O ATOM 0 H SER A 13 -12.396 16.752 5.068 1.00 0.00 H new ATOM 0 HA SER A 13 -11.253 15.150 2.892 1.00 0.00 H new ATOM 0 HB2 SER A 13 -9.918 16.871 4.084 1.00 0.00 H new ATOM 0 HB3 SER A 13 -10.192 16.037 5.601 1.00 0.00 H new ATOM 0 HG SER A 13 -9.180 14.539 3.421 1.00 0.00 H new ATOM 178 N MET A 14 -12.471 13.926 5.675 1.00 0.00 N ATOM 179 CA MET A 14 -12.884 12.713 6.366 1.00 0.00 C ATOM 180 C MET A 14 -13.816 11.879 5.492 1.00 0.00 C ATOM 181 O MET A 14 -14.091 10.725 5.808 1.00 0.00 O ATOM 182 CB MET A 14 -13.590 13.106 7.663 1.00 0.00 C ATOM 183 CG MET A 14 -12.560 13.443 8.740 1.00 0.00 C ATOM 184 SD MET A 14 -12.323 12.144 9.986 1.00 0.00 S ATOM 185 CE MET A 14 -12.115 10.677 8.939 1.00 0.00 C ATOM 0 H MET A 14 -12.843 14.778 6.094 1.00 0.00 H new ATOM 0 HA MET A 14 -12.005 12.107 6.587 1.00 0.00 H new ATOM 0 HB2 MET A 14 -14.238 13.964 7.488 1.00 0.00 H new ATOM 0 HB3 MET A 14 -14.227 12.289 8.001 1.00 0.00 H new ATOM 0 HG2 MET A 14 -11.603 13.647 8.259 1.00 0.00 H new ATOM 0 HG3 MET A 14 -12.866 14.360 9.243 1.00 0.00 H new ATOM 0 HE1 MET A 14 -11.820 9.828 9.556 1.00 0.00 H new ATOM 0 HE2 MET A 14 -13.056 10.451 8.438 1.00 0.00 H new ATOM 0 HE3 MET A 14 -11.344 10.869 8.193 1.00 0.00 H new ATOM 195 N ASN A 15 -14.303 12.461 4.393 1.00 0.00 N ATOM 196 CA ASN A 15 -15.206 11.781 3.481 1.00 0.00 C ATOM 197 C ASN A 15 -14.720 11.846 2.034 1.00 0.00 C ATOM 198 O ASN A 15 -15.465 11.494 1.126 1.00 0.00 O ATOM 199 CB ASN A 15 -16.629 12.317 3.654 1.00 0.00 C ATOM 200 CG ASN A 15 -16.666 13.830 3.774 1.00 0.00 C ATOM 201 OD1 ASN A 15 -16.743 14.545 2.778 1.00 0.00 O ATOM 202 ND2 ASN A 15 -16.609 14.327 5.004 1.00 0.00 N ATOM 0 H ASN A 15 -14.078 13.417 4.117 1.00 0.00 H new ATOM 0 HA ASN A 15 -15.218 10.721 3.735 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -17.237 12.008 2.804 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -17.076 11.873 4.544 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -16.629 15.337 5.147 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -16.546 13.699 5.805 1.00 0.00 H new ATOM 209 N SER A 16 -13.479 12.291 1.810 1.00 0.00 N ATOM 210 CA SER A 16 -12.880 12.305 0.483 1.00 0.00 C ATOM 211 C SER A 16 -11.713 11.327 0.394 1.00 0.00 C ATOM 212 O SER A 16 -11.057 11.229 -0.641 1.00 0.00 O ATOM 213 CB SER A 16 -12.454 13.721 0.106 1.00 0.00 C ATOM 214 OG SER A 16 -11.368 14.116 0.907 1.00 0.00 O ATOM 0 H SER A 16 -12.868 12.649 2.544 1.00 0.00 H new ATOM 0 HA SER A 16 -13.631 11.976 -0.236 1.00 0.00 H new ATOM 0 HB2 SER A 16 -12.175 13.759 -0.947 1.00 0.00 H new ATOM 0 HB3 SER A 16 -13.288 14.410 0.240 1.00 0.00 H new ATOM 0 HG SER A 16 -11.095 15.025 0.663 1.00 0.00 H new ATOM 220 N ARG A 17 -11.446 10.593 1.479 1.00 0.00 N ATOM 221 CA ARG A 17 -10.405 9.576 1.508 1.00 0.00 C ATOM 222 C ARG A 17 -11.040 8.186 1.533 1.00 0.00 C ATOM 223 O ARG A 17 -12.247 8.058 1.736 1.00 0.00 O ATOM 224 CB ARG A 17 -9.459 9.831 2.683 1.00 0.00 C ATOM 225 CG ARG A 17 -10.070 9.322 3.985 1.00 0.00 C ATOM 226 CD ARG A 17 -9.234 9.736 5.189 1.00 0.00 C ATOM 227 NE ARG A 17 -9.193 11.193 5.303 1.00 0.00 N ATOM 228 CZ ARG A 17 -9.104 11.865 6.449 1.00 0.00 C ATOM 229 NH1 ARG A 17 -8.938 11.237 7.610 1.00 0.00 N ATOM 230 NH2 ARG A 17 -9.181 13.190 6.441 1.00 0.00 N ATOM 0 H ARG A 17 -11.950 10.692 2.360 1.00 0.00 H new ATOM 0 HA ARG A 17 -9.799 9.628 0.604 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -8.506 9.334 2.504 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -9.252 10.898 2.765 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -11.082 9.712 4.091 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -10.149 8.235 3.951 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -9.655 9.305 6.098 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -8.222 9.344 5.089 1.00 0.00 H new ATOM 0 HE ARG A 17 -9.236 11.735 4.440 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -8.876 10.219 7.635 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -8.872 11.773 8.475 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -9.308 13.688 5.560 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -9.113 13.710 7.316 1.00 0.00 H new ATOM 244 N VAL A 18 -10.229 7.151 1.327 1.00 0.00 N ATOM 245 CA VAL A 18 -10.696 5.772 1.253 1.00 0.00 C ATOM 246 C VAL A 18 -9.936 4.914 2.252 1.00 0.00 C ATOM 247 O VAL A 18 -8.711 4.986 2.313 1.00 0.00 O ATOM 248 CB VAL A 18 -10.469 5.238 -0.165 1.00 0.00 C ATOM 249 CG1 VAL A 18 -11.047 3.834 -0.305 1.00 0.00 C ATOM 250 CG2 VAL A 18 -11.106 6.142 -1.220 1.00 0.00 C ATOM 0 H VAL A 18 -9.221 7.248 1.206 1.00 0.00 H new ATOM 0 HA VAL A 18 -11.759 5.736 1.492 1.00 0.00 H new ATOM 0 HB VAL A 18 -9.392 5.216 -0.329 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -10.877 3.470 -1.318 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -10.560 3.167 0.407 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -12.118 3.860 -0.104 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -10.923 5.729 -2.212 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -12.180 6.204 -1.046 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -10.670 7.139 -1.156 1.00 0.00 H new ATOM 260 N PHE A 19 -10.659 4.102 3.028 1.00 0.00 N ATOM 261 CA PHE A 19 -10.048 3.121 3.905 1.00 0.00 C ATOM 262 C PHE A 19 -9.973 1.797 3.147 1.00 0.00 C ATOM 263 O PHE A 19 -10.944 1.406 2.500 1.00 0.00 O ATOM 264 CB PHE A 19 -10.871 2.991 5.188 1.00 0.00 C ATOM 265 CG PHE A 19 -10.374 1.928 6.148 1.00 0.00 C ATOM 266 CD1 PHE A 19 -9.010 1.804 6.444 1.00 0.00 C ATOM 267 CD2 PHE A 19 -11.300 1.062 6.749 1.00 0.00 C ATOM 268 CE1 PHE A 19 -8.573 0.815 7.338 1.00 0.00 C ATOM 269 CE2 PHE A 19 -10.859 0.071 7.639 1.00 0.00 C ATOM 270 CZ PHE A 19 -9.496 -0.053 7.934 1.00 0.00 C ATOM 0 H PHE A 19 -11.678 4.112 3.060 1.00 0.00 H new ATOM 0 HA PHE A 19 -9.042 3.426 4.195 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -10.875 3.953 5.701 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -11.904 2.767 4.921 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -8.295 2.470 5.984 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -12.352 1.158 6.527 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -7.522 0.723 7.567 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -11.573 -0.598 8.098 1.00 0.00 H new ATOM 0 HZ PHE A 19 -9.157 -0.816 8.619 1.00 0.00 H new ATOM 280 N ILE A 20 -8.831 1.106 3.221 1.00 0.00 N ATOM 281 CA ILE A 20 -8.615 -0.141 2.498 1.00 0.00 C ATOM 282 C ILE A 20 -8.070 -1.174 3.476 1.00 0.00 C ATOM 283 O ILE A 20 -6.861 -1.385 3.563 1.00 0.00 O ATOM 284 CB ILE A 20 -7.648 0.098 1.329 1.00 0.00 C ATOM 285 CG1 ILE A 20 -8.152 1.224 0.420 1.00 0.00 C ATOM 286 CG2 ILE A 20 -7.491 -1.198 0.522 1.00 0.00 C ATOM 287 CD1 ILE A 20 -7.084 1.649 -0.582 1.00 0.00 C ATOM 0 H ILE A 20 -8.033 1.399 3.785 1.00 0.00 H new ATOM 0 HA ILE A 20 -9.550 -0.512 2.078 1.00 0.00 H new ATOM 0 HB ILE A 20 -6.681 0.398 1.733 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -9.043 0.892 -0.114 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -8.445 2.080 1.027 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -6.805 -1.029 -0.308 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -7.095 -1.982 1.167 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -8.462 -1.504 0.133 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -7.473 2.449 -1.212 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -6.204 2.004 -0.047 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -6.810 0.798 -1.205 1.00 0.00 H new ATOM 299 N GLY A 21 -8.973 -1.813 4.217 1.00 0.00 N ATOM 300 CA GLY A 21 -8.617 -2.792 5.232 1.00 0.00 C ATOM 301 C GLY A 21 -8.479 -4.201 4.662 1.00 0.00 C ATOM 302 O GLY A 21 -8.784 -4.447 3.495 1.00 0.00 O ATOM 0 H GLY A 21 -9.978 -1.662 4.126 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -7.677 -2.499 5.701 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -9.376 -2.793 6.014 1.00 0.00 H new ATOM 306 N ASN A 22 -8.016 -5.127 5.508 1.00 0.00 N ATOM 307 CA ASN A 22 -7.831 -6.537 5.183 1.00 0.00 C ATOM 308 C ASN A 22 -6.914 -6.735 3.969 1.00 0.00 C ATOM 309 O ASN A 22 -6.934 -7.783 3.327 1.00 0.00 O ATOM 310 CB ASN A 22 -9.204 -7.208 5.039 1.00 0.00 C ATOM 311 CG ASN A 22 -9.133 -8.718 5.240 1.00 0.00 C ATOM 312 OD1 ASN A 22 -9.235 -9.198 6.365 1.00 0.00 O ATOM 313 ND2 ASN A 22 -8.959 -9.477 4.161 1.00 0.00 N ATOM 0 H ASN A 22 -7.752 -4.904 6.468 1.00 0.00 H new ATOM 0 HA ASN A 22 -7.308 -7.032 6.001 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -9.894 -6.779 5.766 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -9.609 -6.994 4.050 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -8.907 -10.491 4.254 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -8.878 -9.044 3.241 1.00 0.00 H new ATOM 320 N LEU A 23 -6.106 -5.724 3.647 1.00 0.00 N ATOM 321 CA LEU A 23 -5.231 -5.751 2.489 1.00 0.00 C ATOM 322 C LEU A 23 -4.045 -6.692 2.720 1.00 0.00 C ATOM 323 O LEU A 23 -3.625 -6.904 3.856 1.00 0.00 O ATOM 324 CB LEU A 23 -4.805 -4.309 2.191 1.00 0.00 C ATOM 325 CG LEU A 23 -3.968 -4.150 0.919 1.00 0.00 C ATOM 326 CD1 LEU A 23 -4.704 -4.664 -0.318 1.00 0.00 C ATOM 327 CD2 LEU A 23 -3.678 -2.667 0.714 1.00 0.00 C ATOM 0 H LEU A 23 -6.045 -4.862 4.189 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.750 -6.150 1.618 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.697 -3.689 2.105 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.234 -3.929 3.038 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.054 -4.731 1.042 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.074 -4.532 -1.197 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.933 -5.722 -0.192 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.631 -4.105 -0.448 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.082 -2.534 -0.189 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.617 -2.123 0.612 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.127 -2.282 1.572 1.00 0.00 H new ATOM 339 N ASN A 24 -3.509 -7.250 1.630 1.00 0.00 N ATOM 340 CA ASN A 24 -2.395 -8.188 1.664 1.00 0.00 C ATOM 341 C ASN A 24 -1.141 -7.541 2.256 1.00 0.00 C ATOM 342 O ASN A 24 -0.491 -8.127 3.119 1.00 0.00 O ATOM 343 CB ASN A 24 -2.144 -8.644 0.227 1.00 0.00 C ATOM 344 CG ASN A 24 -0.830 -9.394 0.088 1.00 0.00 C ATOM 345 OD1 ASN A 24 -0.575 -10.376 0.777 1.00 0.00 O ATOM 346 ND2 ASN A 24 0.017 -8.921 -0.814 1.00 0.00 N ATOM 0 H ASN A 24 -3.846 -7.056 0.687 1.00 0.00 H new ATOM 0 HA ASN A 24 -2.637 -9.038 2.302 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -2.963 -9.285 -0.098 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -2.137 -7.776 -0.433 1.00 0.00 H new ATOM 0 HD21 ASN A 24 0.919 -9.376 -0.955 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -0.233 -8.101 -1.368 1.00 0.00 H new ATOM 353 N THR A 25 -0.807 -6.333 1.786 1.00 0.00 N ATOM 354 CA THR A 25 0.313 -5.512 2.251 1.00 0.00 C ATOM 355 C THR A 25 1.691 -6.182 2.263 1.00 0.00 C ATOM 356 O THR A 25 2.644 -5.585 2.765 1.00 0.00 O ATOM 357 CB THR A 25 -0.011 -4.872 3.607 1.00 0.00 C ATOM 358 OG1 THR A 25 -0.019 -5.840 4.630 1.00 0.00 O ATOM 359 CG2 THR A 25 -1.379 -4.198 3.563 1.00 0.00 C ATOM 0 H THR A 25 -1.335 -5.883 1.038 1.00 0.00 H new ATOM 0 HA THR A 25 0.415 -4.740 1.488 1.00 0.00 H new ATOM 0 HB THR A 25 0.761 -4.132 3.815 1.00 0.00 H new ATOM 0 HG1 THR A 25 -0.020 -6.736 4.233 1.00 0.00 H new ATOM 0 HG21 THR A 25 -1.595 -3.749 4.532 1.00 0.00 H new ATOM 0 HG22 THR A 25 -1.379 -3.424 2.796 1.00 0.00 H new ATOM 0 HG23 THR A 25 -2.143 -4.940 3.329 1.00 0.00 H new ATOM 367 N LEU A 26 1.824 -7.402 1.726 1.00 0.00 N ATOM 368 CA LEU A 26 3.133 -8.039 1.603 1.00 0.00 C ATOM 369 C LEU A 26 3.683 -7.894 0.185 1.00 0.00 C ATOM 370 O LEU A 26 4.870 -8.118 -0.045 1.00 0.00 O ATOM 371 CB LEU A 26 3.070 -9.528 1.960 1.00 0.00 C ATOM 372 CG LEU A 26 2.452 -9.864 3.316 1.00 0.00 C ATOM 373 CD1 LEU A 26 2.886 -11.285 3.666 1.00 0.00 C ATOM 374 CD2 LEU A 26 2.897 -8.924 4.432 1.00 0.00 C ATOM 0 H LEU A 26 1.046 -7.960 1.374 1.00 0.00 H new ATOM 0 HA LEU A 26 3.796 -7.533 2.305 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.502 -10.044 1.186 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.082 -9.931 1.934 1.00 0.00 H new ATOM 0 HG LEU A 26 1.370 -9.759 3.235 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.465 -11.567 4.631 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.530 -11.973 2.900 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.974 -11.331 3.717 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.421 -9.219 5.367 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.980 -8.978 4.543 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.608 -7.903 4.184 1.00 0.00 H new ATOM 386 N VAL A 27 2.820 -7.524 -0.764 1.00 0.00 N ATOM 387 CA VAL A 27 3.173 -7.446 -2.179 1.00 0.00 C ATOM 388 C VAL A 27 2.676 -6.135 -2.789 1.00 0.00 C ATOM 389 O VAL A 27 3.104 -5.769 -3.880 1.00 0.00 O ATOM 390 CB VAL A 27 2.594 -8.662 -2.918 1.00 0.00 C ATOM 391 CG1 VAL A 27 3.160 -8.767 -4.334 1.00 0.00 C ATOM 392 CG2 VAL A 27 2.929 -9.964 -2.182 1.00 0.00 C ATOM 0 H VAL A 27 1.852 -7.269 -0.569 1.00 0.00 H new ATOM 0 HA VAL A 27 4.258 -7.460 -2.281 1.00 0.00 H new ATOM 0 HB VAL A 27 1.514 -8.520 -2.957 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.733 -9.637 -4.833 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.908 -7.867 -4.894 1.00 0.00 H new ATOM 0 HG13 VAL A 27 4.244 -8.873 -4.286 1.00 0.00 H new ATOM 0 HG21 VAL A 27 2.507 -10.809 -2.727 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.011 -10.078 -2.118 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.507 -9.933 -1.177 1.00 0.00 H new ATOM 402 N VAL A 28 1.780 -5.425 -2.097 1.00 0.00 N ATOM 403 CA VAL A 28 1.327 -4.120 -2.544 1.00 0.00 C ATOM 404 C VAL A 28 2.318 -3.070 -2.042 1.00 0.00 C ATOM 405 O VAL A 28 3.030 -3.303 -1.064 1.00 0.00 O ATOM 406 CB VAL A 28 -0.108 -3.868 -2.060 1.00 0.00 C ATOM 407 CG1 VAL A 28 -0.116 -3.002 -0.803 1.00 0.00 C ATOM 408 CG2 VAL A 28 -0.931 -3.154 -3.127 1.00 0.00 C ATOM 0 H VAL A 28 1.358 -5.740 -1.224 1.00 0.00 H new ATOM 0 HA VAL A 28 1.298 -4.065 -3.632 1.00 0.00 H new ATOM 0 HB VAL A 28 -0.544 -4.844 -1.846 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.144 -2.838 -0.481 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.437 -3.506 -0.010 1.00 0.00 H new ATOM 0 HG13 VAL A 28 0.354 -2.042 -1.019 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -1.943 -2.989 -2.756 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.469 -2.195 -3.361 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -0.970 -3.767 -4.027 1.00 0.00 H new ATOM 418 N LYS A 29 2.367 -1.916 -2.701 1.00 0.00 N ATOM 419 CA LYS A 29 3.247 -0.819 -2.320 1.00 0.00 C ATOM 420 C LYS A 29 2.573 0.522 -2.584 1.00 0.00 C ATOM 421 O LYS A 29 1.483 0.575 -3.154 1.00 0.00 O ATOM 422 CB LYS A 29 4.590 -0.902 -3.063 1.00 0.00 C ATOM 423 CG LYS A 29 4.483 -1.515 -4.460 1.00 0.00 C ATOM 424 CD LYS A 29 4.869 -2.995 -4.401 1.00 0.00 C ATOM 425 CE LYS A 29 4.486 -3.674 -5.709 1.00 0.00 C ATOM 426 NZ LYS A 29 5.012 -5.050 -5.777 1.00 0.00 N ATOM 0 H LYS A 29 1.793 -1.716 -3.520 1.00 0.00 H new ATOM 0 HA LYS A 29 3.448 -0.904 -1.252 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.011 0.100 -3.147 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.288 -1.493 -2.469 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.466 -1.409 -4.838 1.00 0.00 H new ATOM 0 HG3 LYS A 29 5.138 -0.985 -5.152 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.940 -3.095 -4.227 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.364 -3.480 -3.566 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.401 -3.693 -5.806 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.871 -3.094 -6.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.898 -5.418 -6.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.021 -5.049 -5.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.489 -5.655 -5.112 1.00 0.00 H new ATOM 440 N LYS A 30 3.233 1.605 -2.164 1.00 0.00 N ATOM 441 CA LYS A 30 2.737 2.966 -2.325 1.00 0.00 C ATOM 442 C LYS A 30 2.511 3.292 -3.798 1.00 0.00 C ATOM 443 O LYS A 30 1.719 4.177 -4.109 1.00 0.00 O ATOM 444 CB LYS A 30 3.764 3.928 -1.712 1.00 0.00 C ATOM 445 CG LYS A 30 3.503 5.400 -2.041 1.00 0.00 C ATOM 446 CD LYS A 30 2.137 5.887 -1.546 1.00 0.00 C ATOM 447 CE LYS A 30 2.019 7.400 -1.725 1.00 0.00 C ATOM 448 NZ LYS A 30 2.295 7.823 -3.113 1.00 0.00 N ATOM 0 H LYS A 30 4.138 1.556 -1.697 1.00 0.00 H new ATOM 0 HA LYS A 30 1.778 3.070 -1.817 1.00 0.00 H new ATOM 0 HB2 LYS A 30 3.765 3.802 -0.629 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.759 3.657 -2.066 1.00 0.00 H new ATOM 0 HG2 LYS A 30 4.286 6.012 -1.593 1.00 0.00 H new ATOM 0 HG3 LYS A 30 3.565 5.543 -3.120 1.00 0.00 H new ATOM 0 HD2 LYS A 30 1.342 5.385 -2.098 1.00 0.00 H new ATOM 0 HD3 LYS A 30 2.009 5.627 -0.495 1.00 0.00 H new ATOM 0 HE2 LYS A 30 1.016 7.720 -1.443 1.00 0.00 H new ATOM 0 HE3 LYS A 30 2.715 7.899 -1.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 2.088 8.837 -3.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 3.296 7.650 -3.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 1.695 7.280 -3.767 1.00 0.00 H new ATOM 462 N SER A 31 3.194 2.589 -4.704 1.00 0.00 N ATOM 463 CA SER A 31 3.063 2.825 -6.135 1.00 0.00 C ATOM 464 C SER A 31 2.013 1.909 -6.767 1.00 0.00 C ATOM 465 O SER A 31 1.721 2.045 -7.953 1.00 0.00 O ATOM 466 CB SER A 31 4.429 2.648 -6.795 1.00 0.00 C ATOM 467 OG SER A 31 4.906 1.339 -6.569 1.00 0.00 O ATOM 0 H SER A 31 3.849 1.845 -4.464 1.00 0.00 H new ATOM 0 HA SER A 31 2.716 3.846 -6.295 1.00 0.00 H new ATOM 0 HB2 SER A 31 4.352 2.837 -7.866 1.00 0.00 H new ATOM 0 HB3 SER A 31 5.134 3.376 -6.393 1.00 0.00 H new ATOM 0 HG SER A 31 5.781 1.232 -6.996 1.00 0.00 H new ATOM 473 N ASP A 32 1.440 0.984 -5.990 1.00 0.00 N ATOM 474 CA ASP A 32 0.386 0.105 -6.468 1.00 0.00 C ATOM 475 C ASP A 32 -0.980 0.630 -6.038 1.00 0.00 C ATOM 476 O ASP A 32 -1.919 0.606 -6.829 1.00 0.00 O ATOM 477 CB ASP A 32 0.604 -1.306 -5.927 1.00 0.00 C ATOM 478 CG ASP A 32 1.510 -2.148 -6.823 1.00 0.00 C ATOM 479 OD1 ASP A 32 2.457 -1.574 -7.403 1.00 0.00 O ATOM 480 OD2 ASP A 32 1.245 -3.367 -6.921 1.00 0.00 O ATOM 0 H ASP A 32 1.698 0.830 -5.015 1.00 0.00 H new ATOM 0 HA ASP A 32 0.417 0.077 -7.557 1.00 0.00 H new ATOM 0 HB2 ASP A 32 1.041 -1.245 -4.930 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.360 -1.803 -5.822 1.00 0.00 H new ATOM 485 N VAL A 33 -1.113 1.110 -4.800 1.00 0.00 N ATOM 486 CA VAL A 33 -2.411 1.570 -4.320 1.00 0.00 C ATOM 487 C VAL A 33 -2.831 2.820 -5.092 1.00 0.00 C ATOM 488 O VAL A 33 -4.013 3.002 -5.387 1.00 0.00 O ATOM 489 CB VAL A 33 -2.351 1.822 -2.810 1.00 0.00 C ATOM 490 CG1 VAL A 33 -3.717 2.268 -2.293 1.00 0.00 C ATOM 491 CG2 VAL A 33 -1.960 0.539 -2.075 1.00 0.00 C ATOM 0 H VAL A 33 -0.352 1.188 -4.125 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.164 0.802 -4.494 1.00 0.00 H new ATOM 0 HB VAL A 33 -1.610 2.600 -2.628 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -3.660 2.444 -1.219 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -4.014 3.189 -2.796 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -4.454 1.491 -2.495 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.921 0.731 -1.003 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.699 -0.236 -2.278 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.981 0.206 -2.420 1.00 0.00 H new ATOM 501 N GLU A 34 -1.870 3.685 -5.428 1.00 0.00 N ATOM 502 CA GLU A 34 -2.142 4.873 -6.222 1.00 0.00 C ATOM 503 C GLU A 34 -2.293 4.537 -7.706 1.00 0.00 C ATOM 504 O GLU A 34 -2.478 5.436 -8.524 1.00 0.00 O ATOM 505 CB GLU A 34 -1.059 5.926 -5.989 1.00 0.00 C ATOM 506 CG GLU A 34 0.299 5.476 -6.527 1.00 0.00 C ATOM 507 CD GLU A 34 1.367 6.553 -6.323 1.00 0.00 C ATOM 508 OE1 GLU A 34 1.101 7.499 -5.547 1.00 0.00 O ATOM 509 OE2 GLU A 34 2.447 6.424 -6.944 1.00 0.00 O ATOM 0 H GLU A 34 -0.892 3.578 -5.157 1.00 0.00 H new ATOM 0 HA GLU A 34 -3.095 5.289 -5.896 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.350 6.859 -6.472 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.977 6.132 -4.922 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.605 4.559 -6.024 1.00 0.00 H new ATOM 0 HG3 GLU A 34 0.212 5.244 -7.589 1.00 0.00 H new ATOM 516 N ALA A 35 -2.215 3.250 -8.060 1.00 0.00 N ATOM 517 CA ALA A 35 -2.377 2.792 -9.433 1.00 0.00 C ATOM 518 C ALA A 35 -3.604 1.891 -9.580 1.00 0.00 C ATOM 519 O ALA A 35 -3.987 1.547 -10.694 1.00 0.00 O ATOM 520 CB ALA A 35 -1.104 2.059 -9.855 1.00 0.00 C ATOM 0 H ALA A 35 -2.037 2.498 -7.395 1.00 0.00 H new ATOM 0 HA ALA A 35 -2.539 3.652 -10.083 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -1.209 1.709 -10.882 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.254 2.738 -9.788 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.940 1.206 -9.196 1.00 0.00 H new ATOM 526 N ILE A 36 -4.223 1.510 -8.456 1.00 0.00 N ATOM 527 CA ILE A 36 -5.402 0.655 -8.437 1.00 0.00 C ATOM 528 C ILE A 36 -6.659 1.482 -8.166 1.00 0.00 C ATOM 529 O ILE A 36 -7.760 1.067 -8.519 1.00 0.00 O ATOM 530 CB ILE A 36 -5.183 -0.440 -7.386 1.00 0.00 C ATOM 531 CG1 ILE A 36 -4.050 -1.363 -7.844 1.00 0.00 C ATOM 532 CG2 ILE A 36 -6.446 -1.271 -7.162 1.00 0.00 C ATOM 533 CD1 ILE A 36 -3.461 -2.137 -6.665 1.00 0.00 C ATOM 0 H ILE A 36 -3.911 1.793 -7.527 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.551 0.182 -9.408 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.925 0.046 -6.445 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.426 -2.062 -8.591 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.268 -0.774 -8.324 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -6.250 -2.036 -6.411 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -7.252 -0.623 -6.818 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -6.738 -1.748 -8.097 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.659 -2.784 -7.019 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.064 -1.436 -5.931 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.240 -2.744 -6.203 1.00 0.00 H new ATOM 545 N PHE A 37 -6.498 2.656 -7.546 1.00 0.00 N ATOM 546 CA PHE A 37 -7.612 3.528 -7.211 1.00 0.00 C ATOM 547 C PHE A 37 -7.631 4.779 -8.094 1.00 0.00 C ATOM 548 O PHE A 37 -8.603 5.530 -8.076 1.00 0.00 O ATOM 549 CB PHE A 37 -7.535 3.850 -5.719 1.00 0.00 C ATOM 550 CG PHE A 37 -7.891 2.675 -4.836 1.00 0.00 C ATOM 551 CD1 PHE A 37 -7.025 1.578 -4.740 1.00 0.00 C ATOM 552 CD2 PHE A 37 -9.097 2.683 -4.119 1.00 0.00 C ATOM 553 CE1 PHE A 37 -7.375 0.476 -3.944 1.00 0.00 C ATOM 554 CE2 PHE A 37 -9.444 1.581 -3.322 1.00 0.00 C ATOM 555 CZ PHE A 37 -8.582 0.478 -3.233 1.00 0.00 C ATOM 0 H PHE A 37 -5.588 3.022 -7.265 1.00 0.00 H new ATOM 0 HA PHE A 37 -8.558 3.025 -7.410 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -6.526 4.185 -5.478 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -8.207 4.679 -5.498 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -6.089 1.580 -5.278 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -9.757 3.536 -4.180 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -6.713 -0.375 -3.880 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -10.376 1.582 -2.776 1.00 0.00 H new ATOM 0 HZ PHE A 37 -8.848 -0.368 -2.617 1.00 0.00 H new ATOM 565 N SER A 38 -6.576 5.019 -8.877 1.00 0.00 N ATOM 566 CA SER A 38 -6.519 6.184 -9.754 1.00 0.00 C ATOM 567 C SER A 38 -7.468 6.034 -10.944 1.00 0.00 C ATOM 568 O SER A 38 -7.687 6.986 -11.692 1.00 0.00 O ATOM 569 CB SER A 38 -5.075 6.406 -10.203 1.00 0.00 C ATOM 570 OG SER A 38 -4.967 7.578 -10.979 1.00 0.00 O ATOM 0 H SER A 38 -5.751 4.420 -8.919 1.00 0.00 H new ATOM 0 HA SER A 38 -6.853 7.063 -9.203 1.00 0.00 H new ATOM 0 HB2 SER A 38 -4.426 6.481 -9.331 1.00 0.00 H new ATOM 0 HB3 SER A 38 -4.733 5.548 -10.782 1.00 0.00 H new ATOM 0 HG SER A 38 -5.813 7.741 -11.446 1.00 0.00 H new ATOM 576 N LYS A 39 -8.043 4.841 -11.132 1.00 0.00 N ATOM 577 CA LYS A 39 -8.986 4.580 -12.213 1.00 0.00 C ATOM 578 C LYS A 39 -10.406 5.007 -11.837 1.00 0.00 C ATOM 579 O LYS A 39 -11.304 4.945 -12.677 1.00 0.00 O ATOM 580 CB LYS A 39 -8.950 3.095 -12.588 1.00 0.00 C ATOM 581 CG LYS A 39 -9.439 2.231 -11.424 1.00 0.00 C ATOM 582 CD LYS A 39 -9.546 0.771 -11.854 1.00 0.00 C ATOM 583 CE LYS A 39 -10.101 -0.040 -10.684 1.00 0.00 C ATOM 584 NZ LYS A 39 -10.342 -1.445 -11.061 1.00 0.00 N ATOM 0 H LYS A 39 -7.864 4.033 -10.536 1.00 0.00 H new ATOM 0 HA LYS A 39 -8.686 5.174 -13.076 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -9.575 2.921 -13.464 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.934 2.808 -12.859 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -8.751 2.320 -10.583 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -10.410 2.588 -11.081 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -10.199 0.679 -12.722 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -8.568 0.390 -12.149 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -9.400 -0.002 -9.850 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -11.032 0.409 -10.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -10.872 -1.922 -10.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -10.893 -1.478 -11.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -9.432 -1.927 -11.203 1.00 0.00 H new ATOM 598 N TYR A 40 -10.612 5.435 -10.588 1.00 0.00 N ATOM 599 CA TYR A 40 -11.926 5.819 -10.088 1.00 0.00 C ATOM 600 C TYR A 40 -11.957 7.270 -9.610 1.00 0.00 C ATOM 601 O TYR A 40 -13.010 7.763 -9.213 1.00 0.00 O ATOM 602 CB TYR A 40 -12.343 4.858 -8.973 1.00 0.00 C ATOM 603 CG TYR A 40 -13.075 3.630 -9.463 1.00 0.00 C ATOM 604 CD1 TYR A 40 -14.236 3.772 -10.240 1.00 0.00 C ATOM 605 CD2 TYR A 40 -12.606 2.350 -9.135 1.00 0.00 C ATOM 606 CE1 TYR A 40 -14.923 2.641 -10.697 1.00 0.00 C ATOM 607 CE2 TYR A 40 -13.290 1.214 -9.584 1.00 0.00 C ATOM 608 CZ TYR A 40 -14.450 1.350 -10.372 1.00 0.00 C ATOM 609 OH TYR A 40 -15.113 0.248 -10.822 1.00 0.00 O ATOM 0 H TYR A 40 -9.867 5.523 -9.897 1.00 0.00 H new ATOM 0 HA TYR A 40 -12.641 5.751 -10.908 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -11.454 4.544 -8.426 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -12.980 5.391 -8.267 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -14.601 4.758 -10.486 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -11.715 2.240 -8.535 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -15.814 2.755 -11.297 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -12.927 0.230 -9.325 1.00 0.00 H new ATOM 0 HH TYR A 40 -14.655 -0.560 -10.509 1.00 0.00 H new ATOM 619 N GLY A 41 -10.819 7.968 -9.643 1.00 0.00 N ATOM 620 CA GLY A 41 -10.778 9.360 -9.227 1.00 0.00 C ATOM 621 C GLY A 41 -9.365 9.927 -9.237 1.00 0.00 C ATOM 622 O GLY A 41 -8.393 9.180 -9.338 1.00 0.00 O ATOM 0 H GLY A 41 -9.923 7.590 -9.952 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -11.409 9.953 -9.889 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -11.195 9.449 -8.224 1.00 0.00 H new ATOM 626 N LYS A 42 -9.257 11.254 -9.132 1.00 0.00 N ATOM 627 CA LYS A 42 -7.971 11.926 -9.056 1.00 0.00 C ATOM 628 C LYS A 42 -7.412 11.766 -7.650 1.00 0.00 C ATOM 629 O LYS A 42 -7.970 12.310 -6.698 1.00 0.00 O ATOM 630 CB LYS A 42 -8.146 13.407 -9.415 1.00 0.00 C ATOM 631 CG LYS A 42 -6.890 14.223 -9.092 1.00 0.00 C ATOM 632 CD LYS A 42 -5.647 13.703 -9.810 1.00 0.00 C ATOM 633 CE LYS A 42 -4.429 14.451 -9.273 1.00 0.00 C ATOM 634 NZ LYS A 42 -3.191 13.996 -9.934 1.00 0.00 N ATOM 0 H LYS A 42 -10.058 11.884 -9.098 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.270 11.484 -9.764 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.376 13.499 -10.476 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.996 13.816 -8.868 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -7.056 15.264 -9.371 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -6.717 14.205 -8.016 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -5.536 12.631 -9.646 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -5.740 13.853 -10.886 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -4.557 15.522 -9.432 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -4.348 14.296 -8.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -2.379 14.521 -9.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -3.059 12.979 -9.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -3.261 14.167 -10.957 1.00 0.00 H new ATOM 648 N ILE A 43 -6.315 11.024 -7.519 1.00 0.00 N ATOM 649 CA ILE A 43 -5.649 10.859 -6.240 1.00 0.00 C ATOM 650 C ILE A 43 -4.681 12.019 -6.043 1.00 0.00 C ATOM 651 O ILE A 43 -3.866 12.310 -6.917 1.00 0.00 O ATOM 652 CB ILE A 43 -4.948 9.496 -6.178 1.00 0.00 C ATOM 653 CG1 ILE A 43 -5.999 8.383 -6.300 1.00 0.00 C ATOM 654 CG2 ILE A 43 -4.201 9.360 -4.852 1.00 0.00 C ATOM 655 CD1 ILE A 43 -5.410 6.980 -6.165 1.00 0.00 C ATOM 0 H ILE A 43 -5.870 10.527 -8.291 1.00 0.00 H new ATOM 0 HA ILE A 43 -6.374 10.874 -5.426 1.00 0.00 H new ATOM 0 HB ILE A 43 -4.233 9.414 -6.997 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.760 8.526 -5.533 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -6.499 8.469 -7.265 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -3.704 8.390 -4.812 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -3.457 10.152 -4.771 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -4.908 9.440 -4.026 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -6.205 6.241 -6.261 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -4.669 6.819 -6.948 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -4.935 6.877 -5.190 1.00 0.00 H new ATOM 667 N VAL A 44 -4.774 12.679 -4.888 1.00 0.00 N ATOM 668 CA VAL A 44 -3.893 13.780 -4.513 1.00 0.00 C ATOM 669 C VAL A 44 -3.124 13.444 -3.238 1.00 0.00 C ATOM 670 O VAL A 44 -2.426 14.289 -2.686 1.00 0.00 O ATOM 671 CB VAL A 44 -4.686 15.079 -4.370 1.00 0.00 C ATOM 672 CG1 VAL A 44 -5.178 15.536 -5.742 1.00 0.00 C ATOM 673 CG2 VAL A 44 -5.887 14.898 -3.444 1.00 0.00 C ATOM 0 H VAL A 44 -5.473 12.459 -4.179 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.161 13.928 -5.307 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.024 15.830 -3.938 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.743 16.462 -5.636 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -4.323 15.705 -6.397 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.819 14.767 -6.173 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -6.430 15.840 -3.364 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.548 14.132 -3.850 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -5.542 14.593 -2.456 1.00 0.00 H new ATOM 683 N GLY A 45 -3.260 12.200 -2.779 1.00 0.00 N ATOM 684 CA GLY A 45 -2.555 11.684 -1.621 1.00 0.00 C ATOM 685 C GLY A 45 -2.809 10.183 -1.511 1.00 0.00 C ATOM 686 O GLY A 45 -3.885 9.709 -1.868 1.00 0.00 O ATOM 0 H GLY A 45 -3.877 11.515 -3.215 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -1.487 11.879 -1.713 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -2.895 12.190 -0.717 1.00 0.00 H new ATOM 690 N CYS A 46 -1.832 9.421 -1.021 1.00 0.00 N ATOM 691 CA CYS A 46 -1.983 7.986 -0.865 1.00 0.00 C ATOM 692 C CYS A 46 -1.036 7.496 0.226 1.00 0.00 C ATOM 693 O CYS A 46 0.014 8.092 0.454 1.00 0.00 O ATOM 694 CB CYS A 46 -1.679 7.310 -2.204 1.00 0.00 C ATOM 695 SG CYS A 46 -1.838 5.514 -2.049 1.00 0.00 S ATOM 0 H CYS A 46 -0.925 9.782 -0.725 1.00 0.00 H new ATOM 0 HA CYS A 46 -3.002 7.737 -0.570 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -2.363 7.678 -2.969 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -0.670 7.566 -2.528 1.00 0.00 H new ATOM 0 HG CYS A 46 -2.663 5.233 -1.084 1.00 0.00 H new ATOM 701 N SER A 47 -1.400 6.409 0.904 1.00 0.00 N ATOM 702 CA SER A 47 -0.550 5.829 1.929 1.00 0.00 C ATOM 703 C SER A 47 -0.845 4.341 2.050 1.00 0.00 C ATOM 704 O SER A 47 -1.945 3.893 1.734 1.00 0.00 O ATOM 705 CB SER A 47 -0.784 6.542 3.261 1.00 0.00 C ATOM 706 OG SER A 47 0.165 6.096 4.206 1.00 0.00 O ATOM 0 H SER A 47 -2.280 5.915 0.758 1.00 0.00 H new ATOM 0 HA SER A 47 0.497 5.955 1.654 1.00 0.00 H new ATOM 0 HB2 SER A 47 -0.701 7.621 3.128 1.00 0.00 H new ATOM 0 HB3 SER A 47 -1.793 6.342 3.621 1.00 0.00 H new ATOM 0 HG SER A 47 0.017 6.554 5.060 1.00 0.00 H new ATOM 712 N VAL A 48 0.133 3.564 2.508 1.00 0.00 N ATOM 713 CA VAL A 48 -0.040 2.130 2.660 1.00 0.00 C ATOM 714 C VAL A 48 0.724 1.646 3.884 1.00 0.00 C ATOM 715 O VAL A 48 1.806 2.139 4.197 1.00 0.00 O ATOM 716 CB VAL A 48 0.362 1.414 1.368 1.00 0.00 C ATOM 717 CG1 VAL A 48 1.781 1.763 0.928 1.00 0.00 C ATOM 718 CG2 VAL A 48 0.241 -0.101 1.519 1.00 0.00 C ATOM 0 H VAL A 48 1.054 3.908 2.780 1.00 0.00 H new ATOM 0 HA VAL A 48 -1.089 1.891 2.831 1.00 0.00 H new ATOM 0 HB VAL A 48 -0.329 1.761 0.599 1.00 0.00 H new ATOM 0 HG11 VAL A 48 2.018 1.230 0.007 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.855 2.837 0.755 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.485 1.472 1.707 1.00 0.00 H new ATOM 0 HG21 VAL A 48 0.533 -0.584 0.586 1.00 0.00 H new ATOM 0 HG22 VAL A 48 0.894 -0.440 2.323 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.791 -0.362 1.755 1.00 0.00 H new ATOM 728 N HIS A 49 0.140 0.669 4.579 1.00 0.00 N ATOM 729 CA HIS A 49 0.629 0.182 5.856 1.00 0.00 C ATOM 730 C HIS A 49 0.558 -1.340 5.860 1.00 0.00 C ATOM 731 O HIS A 49 0.407 -1.951 4.804 1.00 0.00 O ATOM 732 CB HIS A 49 -0.252 0.776 6.962 1.00 0.00 C ATOM 733 CG HIS A 49 -0.525 2.248 6.769 1.00 0.00 C ATOM 734 ND1 HIS A 49 0.305 3.290 7.187 1.00 0.00 N ATOM 735 CD2 HIS A 49 -1.622 2.769 6.146 1.00 0.00 C ATOM 736 CE1 HIS A 49 -0.317 4.414 6.800 1.00 0.00 C ATOM 737 NE2 HIS A 49 -1.475 4.133 6.177 1.00 0.00 N ATOM 0 H HIS A 49 -0.701 0.189 4.259 1.00 0.00 H new ATOM 0 HA HIS A 49 1.664 0.480 6.025 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -1.199 0.237 6.994 1.00 0.00 H new ATOM 0 HB3 HIS A 49 0.233 0.625 7.926 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -2.443 2.217 5.714 1.00 0.00 H new ATOM 0 HE1 HIS A 49 0.062 5.412 6.967 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -2.130 4.815 5.794 1.00 0.00 H new ATOM 745 N LYS A 50 0.666 -1.964 7.035 1.00 0.00 N ATOM 746 CA LYS A 50 0.461 -3.398 7.166 1.00 0.00 C ATOM 747 C LYS A 50 -0.997 -3.675 7.523 1.00 0.00 C ATOM 748 O LYS A 50 -1.546 -3.054 8.429 1.00 0.00 O ATOM 749 CB LYS A 50 1.421 -3.975 8.209 1.00 0.00 C ATOM 750 CG LYS A 50 2.806 -4.223 7.602 1.00 0.00 C ATOM 751 CD LYS A 50 2.784 -5.475 6.722 1.00 0.00 C ATOM 752 CE LYS A 50 4.153 -5.742 6.101 1.00 0.00 C ATOM 753 NZ LYS A 50 4.472 -4.756 5.050 1.00 0.00 N ATOM 0 H LYS A 50 0.895 -1.492 7.909 1.00 0.00 H new ATOM 0 HA LYS A 50 0.676 -3.889 6.217 1.00 0.00 H new ATOM 0 HB2 LYS A 50 1.506 -3.287 9.050 1.00 0.00 H new ATOM 0 HB3 LYS A 50 1.019 -4.909 8.601 1.00 0.00 H new ATOM 0 HG2 LYS A 50 3.111 -3.360 7.010 1.00 0.00 H new ATOM 0 HG3 LYS A 50 3.543 -4.342 8.396 1.00 0.00 H new ATOM 0 HD2 LYS A 50 2.479 -6.335 7.318 1.00 0.00 H new ATOM 0 HD3 LYS A 50 2.042 -5.354 5.933 1.00 0.00 H new ATOM 0 HE2 LYS A 50 4.918 -5.709 6.877 1.00 0.00 H new ATOM 0 HE3 LYS A 50 4.172 -6.746 5.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 5.435 -4.925 4.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 3.794 -4.852 4.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 4.412 -3.796 5.445 1.00 0.00 H new ATOM 767 N GLY A 51 -1.614 -4.612 6.801 1.00 0.00 N ATOM 768 CA GLY A 51 -2.998 -5.013 6.991 1.00 0.00 C ATOM 769 C GLY A 51 -4.009 -4.018 6.417 1.00 0.00 C ATOM 770 O GLY A 51 -5.178 -4.370 6.268 1.00 0.00 O ATOM 0 H GLY A 51 -1.148 -5.122 6.051 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -3.153 -5.986 6.524 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.188 -5.137 8.057 1.00 0.00 H new ATOM 774 N PHE A 52 -3.592 -2.791 6.090 1.00 0.00 N ATOM 775 CA PHE A 52 -4.498 -1.796 5.538 1.00 0.00 C ATOM 776 C PHE A 52 -3.739 -0.733 4.749 1.00 0.00 C ATOM 777 O PHE A 52 -2.510 -0.664 4.792 1.00 0.00 O ATOM 778 CB PHE A 52 -5.296 -1.123 6.659 1.00 0.00 C ATOM 779 CG PHE A 52 -4.449 -0.373 7.663 1.00 0.00 C ATOM 780 CD1 PHE A 52 -3.862 -1.046 8.741 1.00 0.00 C ATOM 781 CD2 PHE A 52 -4.256 1.006 7.509 1.00 0.00 C ATOM 782 CE1 PHE A 52 -3.070 -0.349 9.661 1.00 0.00 C ATOM 783 CE2 PHE A 52 -3.463 1.702 8.427 1.00 0.00 C ATOM 784 CZ PHE A 52 -2.867 1.027 9.502 1.00 0.00 C ATOM 0 H PHE A 52 -2.631 -2.469 6.201 1.00 0.00 H new ATOM 0 HA PHE A 52 -5.180 -2.310 4.861 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -6.011 -0.430 6.215 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -5.874 -1.883 7.185 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.021 -2.107 8.863 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.718 1.529 6.685 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -2.617 -0.871 10.491 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.309 2.764 8.307 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.252 1.568 10.206 1.00 0.00 H new ATOM 794 N ALA A 53 -4.486 0.104 4.029 1.00 0.00 N ATOM 795 CA ALA A 53 -3.955 1.217 3.262 1.00 0.00 C ATOM 796 C ALA A 53 -4.983 2.345 3.209 1.00 0.00 C ATOM 797 O ALA A 53 -6.119 2.180 3.654 1.00 0.00 O ATOM 798 CB ALA A 53 -3.603 0.732 1.856 1.00 0.00 C ATOM 0 H ALA A 53 -5.501 0.020 3.965 1.00 0.00 H new ATOM 0 HA ALA A 53 -3.053 1.602 3.738 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -3.204 1.563 1.274 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -2.855 -0.059 1.920 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.499 0.346 1.369 1.00 0.00 H new ATOM 804 N PHE A 54 -4.575 3.493 2.660 1.00 0.00 N ATOM 805 CA PHE A 54 -5.423 4.663 2.541 1.00 0.00 C ATOM 806 C PHE A 54 -5.170 5.384 1.220 1.00 0.00 C ATOM 807 O PHE A 54 -4.074 5.328 0.661 1.00 0.00 O ATOM 808 CB PHE A 54 -5.166 5.620 3.707 1.00 0.00 C ATOM 809 CG PHE A 54 -6.020 5.360 4.927 1.00 0.00 C ATOM 810 CD1 PHE A 54 -7.340 5.837 4.956 1.00 0.00 C ATOM 811 CD2 PHE A 54 -5.507 4.658 6.028 1.00 0.00 C ATOM 812 CE1 PHE A 54 -8.150 5.604 6.075 1.00 0.00 C ATOM 813 CE2 PHE A 54 -6.317 4.421 7.143 1.00 0.00 C ATOM 814 CZ PHE A 54 -7.636 4.896 7.167 1.00 0.00 C ATOM 0 H PHE A 54 -3.636 3.628 2.285 1.00 0.00 H new ATOM 0 HA PHE A 54 -6.462 4.334 2.565 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -4.116 5.552 3.992 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -5.339 6.641 3.368 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -7.732 6.386 4.113 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -4.488 4.301 6.014 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -9.166 5.969 6.095 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -5.926 3.871 7.987 1.00 0.00 H new ATOM 0 HZ PHE A 54 -8.257 4.715 8.031 1.00 0.00 H new ATOM 824 N VAL A 55 -6.200 6.071 0.723 1.00 0.00 N ATOM 825 CA VAL A 55 -6.112 6.876 -0.486 1.00 0.00 C ATOM 826 C VAL A 55 -6.846 8.187 -0.243 1.00 0.00 C ATOM 827 O VAL A 55 -7.824 8.211 0.498 1.00 0.00 O ATOM 828 CB VAL A 55 -6.716 6.115 -1.672 1.00 0.00 C ATOM 829 CG1 VAL A 55 -6.722 6.976 -2.934 1.00 0.00 C ATOM 830 CG2 VAL A 55 -5.896 4.859 -1.955 1.00 0.00 C ATOM 0 H VAL A 55 -7.124 6.081 1.155 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.070 7.085 -0.727 1.00 0.00 H new ATOM 0 HB VAL A 55 -7.741 5.853 -1.409 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.156 6.410 -3.758 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.314 7.874 -2.759 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -5.700 7.259 -3.186 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.331 4.323 -2.799 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.870 5.140 -2.193 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.901 4.216 -1.075 1.00 0.00 H new ATOM 840 N GLN A 56 -6.381 9.270 -0.861 1.00 0.00 N ATOM 841 CA GLN A 56 -6.957 10.590 -0.683 1.00 0.00 C ATOM 842 C GLN A 56 -7.327 11.165 -2.045 1.00 0.00 C ATOM 843 O GLN A 56 -6.454 11.436 -2.867 1.00 0.00 O ATOM 844 CB GLN A 56 -5.941 11.468 0.056 1.00 0.00 C ATOM 845 CG GLN A 56 -6.427 12.899 0.290 1.00 0.00 C ATOM 846 CD GLN A 56 -7.654 12.928 1.185 1.00 0.00 C ATOM 847 OE1 GLN A 56 -7.551 12.824 2.405 1.00 0.00 O ATOM 848 NE2 GLN A 56 -8.824 13.070 0.580 1.00 0.00 N ATOM 0 H GLN A 56 -5.588 9.251 -1.503 1.00 0.00 H new ATOM 0 HA GLN A 56 -7.869 10.545 -0.087 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -5.708 11.010 1.017 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -5.014 11.497 -0.516 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -5.629 13.486 0.745 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -6.661 13.366 -0.666 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -8.866 13.153 -0.436 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -9.683 13.096 1.130 1.00 0.00 H new ATOM 857 N TYR A 57 -8.627 11.348 -2.271 1.00 0.00 N ATOM 858 CA TYR A 57 -9.140 11.947 -3.491 1.00 0.00 C ATOM 859 C TYR A 57 -9.337 13.443 -3.289 1.00 0.00 C ATOM 860 O TYR A 57 -9.052 13.976 -2.217 1.00 0.00 O ATOM 861 CB TYR A 57 -10.457 11.285 -3.884 1.00 0.00 C ATOM 862 CG TYR A 57 -10.341 9.857 -4.365 1.00 0.00 C ATOM 863 CD1 TYR A 57 -9.462 9.544 -5.413 1.00 0.00 C ATOM 864 CD2 TYR A 57 -11.130 8.856 -3.785 1.00 0.00 C ATOM 865 CE1 TYR A 57 -9.402 8.238 -5.915 1.00 0.00 C ATOM 866 CE2 TYR A 57 -11.079 7.548 -4.286 1.00 0.00 C ATOM 867 CZ TYR A 57 -10.216 7.236 -5.354 1.00 0.00 C ATOM 868 OH TYR A 57 -10.173 5.969 -5.839 1.00 0.00 O ATOM 0 H TYR A 57 -9.353 11.082 -1.606 1.00 0.00 H new ATOM 0 HA TYR A 57 -8.420 11.794 -4.295 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -11.128 11.309 -3.025 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -10.924 11.879 -4.669 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -8.830 10.312 -5.834 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -11.777 9.092 -2.953 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -8.734 8.001 -6.729 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -11.702 6.779 -3.853 1.00 0.00 H new ATOM 0 HH TYR A 57 -9.577 5.936 -6.617 1.00 0.00 H new ATOM 878 N VAL A 58 -9.833 14.121 -4.330 1.00 0.00 N ATOM 879 CA VAL A 58 -10.064 15.558 -4.280 1.00 0.00 C ATOM 880 C VAL A 58 -11.402 15.862 -3.606 1.00 0.00 C ATOM 881 O VAL A 58 -11.597 16.955 -3.077 1.00 0.00 O ATOM 882 CB VAL A 58 -10.019 16.122 -5.705 1.00 0.00 C ATOM 883 CG1 VAL A 58 -10.285 17.629 -5.725 1.00 0.00 C ATOM 884 CG2 VAL A 58 -8.643 15.882 -6.324 1.00 0.00 C ATOM 0 H VAL A 58 -10.082 13.689 -5.220 1.00 0.00 H new ATOM 0 HA VAL A 58 -9.284 16.035 -3.687 1.00 0.00 H new ATOM 0 HB VAL A 58 -10.795 15.610 -6.274 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -10.245 17.992 -6.752 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -11.272 17.830 -5.307 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -9.528 18.140 -5.130 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -8.624 16.287 -7.336 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -7.881 16.376 -5.721 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -8.441 14.811 -6.358 1.00 0.00 H new ATOM 894 N ASN A 59 -12.330 14.900 -3.624 1.00 0.00 N ATOM 895 CA ASN A 59 -13.675 15.083 -3.092 1.00 0.00 C ATOM 896 C ASN A 59 -14.305 13.754 -2.675 1.00 0.00 C ATOM 897 O ASN A 59 -13.710 12.690 -2.837 1.00 0.00 O ATOM 898 CB ASN A 59 -14.531 15.759 -4.168 1.00 0.00 C ATOM 899 CG ASN A 59 -14.571 14.928 -5.439 1.00 0.00 C ATOM 900 OD1 ASN A 59 -15.042 13.796 -5.438 1.00 0.00 O ATOM 901 ND2 ASN A 59 -14.074 15.479 -6.538 1.00 0.00 N ATOM 0 H ASN A 59 -12.164 13.971 -4.010 1.00 0.00 H new ATOM 0 HA ASN A 59 -13.621 15.705 -2.199 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -15.544 15.904 -3.793 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -14.129 16.748 -4.389 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -14.077 14.959 -7.415 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -13.689 16.423 -6.506 1.00 0.00 H new ATOM 908 N GLU A 60 -15.523 13.829 -2.131 1.00 0.00 N ATOM 909 CA GLU A 60 -16.267 12.667 -1.659 1.00 0.00 C ATOM 910 C GLU A 60 -16.789 11.821 -2.817 1.00 0.00 C ATOM 911 O GLU A 60 -16.845 10.598 -2.713 1.00 0.00 O ATOM 912 CB GLU A 60 -17.424 13.163 -0.790 1.00 0.00 C ATOM 913 CG GLU A 60 -18.465 12.063 -0.572 1.00 0.00 C ATOM 914 CD GLU A 60 -19.505 12.461 0.471 1.00 0.00 C ATOM 915 OE1 GLU A 60 -19.966 13.625 0.421 1.00 0.00 O ATOM 916 OE2 GLU A 60 -19.833 11.594 1.313 1.00 0.00 O ATOM 0 H GLU A 60 -16.022 14.710 -2.006 1.00 0.00 H new ATOM 0 HA GLU A 60 -15.603 12.027 -1.078 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -17.040 13.500 0.173 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -17.895 14.024 -1.264 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -18.964 11.843 -1.516 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -17.965 11.148 -0.255 1.00 0.00 H new ATOM 923 N ARG A 61 -17.171 12.462 -3.922 1.00 0.00 N ATOM 924 CA ARG A 61 -17.721 11.785 -5.086 1.00 0.00 C ATOM 925 C ARG A 61 -16.729 10.744 -5.602 1.00 0.00 C ATOM 926 O ARG A 61 -17.116 9.644 -5.993 1.00 0.00 O ATOM 927 CB ARG A 61 -18.051 12.888 -6.101 1.00 0.00 C ATOM 928 CG ARG A 61 -17.805 12.512 -7.559 1.00 0.00 C ATOM 929 CD ARG A 61 -18.760 11.416 -8.028 1.00 0.00 C ATOM 930 NE ARG A 61 -20.146 11.899 -8.079 1.00 0.00 N ATOM 931 CZ ARG A 61 -21.208 11.108 -8.253 1.00 0.00 C ATOM 932 NH1 ARG A 61 -21.064 9.792 -8.403 1.00 0.00 N ATOM 933 NH2 ARG A 61 -22.429 11.637 -8.280 1.00 0.00 N ATOM 0 H ARG A 61 -17.105 13.474 -4.030 1.00 0.00 H new ATOM 0 HA ARG A 61 -18.628 11.224 -4.864 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -19.098 13.168 -5.985 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -17.457 13.770 -5.863 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -17.926 13.394 -8.188 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -16.776 12.174 -7.679 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -18.458 11.066 -9.015 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -18.695 10.562 -7.354 1.00 0.00 H new ATOM 0 HE ARG A 61 -20.308 12.901 -7.975 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -20.133 9.376 -8.386 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -21.885 9.201 -8.535 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -22.551 12.643 -8.168 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -23.242 11.036 -8.413 1.00 0.00 H new ATOM 947 N ASN A 62 -15.442 11.085 -5.605 1.00 0.00 N ATOM 948 CA ASN A 62 -14.395 10.184 -6.056 1.00 0.00 C ATOM 949 C ASN A 62 -14.248 9.015 -5.075 1.00 0.00 C ATOM 950 O ASN A 62 -13.945 7.891 -5.482 1.00 0.00 O ATOM 951 CB ASN A 62 -13.091 10.975 -6.171 1.00 0.00 C ATOM 952 CG ASN A 62 -13.006 11.777 -7.465 1.00 0.00 C ATOM 953 OD1 ASN A 62 -12.015 11.698 -8.181 1.00 0.00 O ATOM 954 ND2 ASN A 62 -14.028 12.557 -7.785 1.00 0.00 N ATOM 0 H ASN A 62 -15.100 11.994 -5.294 1.00 0.00 H new ATOM 0 HA ASN A 62 -14.649 9.767 -7.030 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -13.005 11.652 -5.321 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -12.247 10.287 -6.118 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -14.000 13.108 -8.643 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -14.843 12.607 -7.173 1.00 0.00 H new ATOM 961 N ALA A 63 -14.461 9.263 -3.780 1.00 0.00 N ATOM 962 CA ALA A 63 -14.364 8.208 -2.783 1.00 0.00 C ATOM 963 C ALA A 63 -15.489 7.190 -2.952 1.00 0.00 C ATOM 964 O ALA A 63 -15.247 5.992 -2.830 1.00 0.00 O ATOM 965 CB ALA A 63 -14.383 8.819 -1.381 1.00 0.00 C ATOM 0 H ALA A 63 -14.700 10.181 -3.405 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.421 7.679 -2.922 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -14.310 8.025 -0.637 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -13.539 9.500 -1.269 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -15.313 9.368 -1.236 1.00 0.00 H new ATOM 971 N ARG A 64 -16.714 7.643 -3.239 1.00 0.00 N ATOM 972 CA ARG A 64 -17.840 6.738 -3.456 1.00 0.00 C ATOM 973 C ARG A 64 -17.615 5.913 -4.717 1.00 0.00 C ATOM 974 O ARG A 64 -18.155 4.811 -4.827 1.00 0.00 O ATOM 975 CB ARG A 64 -19.132 7.545 -3.604 1.00 0.00 C ATOM 976 CG ARG A 64 -19.443 8.438 -2.402 1.00 0.00 C ATOM 977 CD ARG A 64 -19.661 7.634 -1.121 1.00 0.00 C ATOM 978 NE ARG A 64 -19.931 8.541 0.001 1.00 0.00 N ATOM 979 CZ ARG A 64 -20.296 8.147 1.222 1.00 0.00 C ATOM 980 NH1 ARG A 64 -20.456 6.857 1.512 1.00 0.00 N ATOM 981 NH2 ARG A 64 -20.507 9.058 2.168 1.00 0.00 N ATOM 0 H ARG A 64 -16.948 8.632 -3.326 1.00 0.00 H new ATOM 0 HA ARG A 64 -17.922 6.069 -2.599 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -19.061 8.166 -4.497 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -19.963 6.857 -3.759 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -18.623 9.140 -2.252 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -20.334 9.029 -2.613 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -20.496 6.945 -1.252 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -18.780 7.030 -0.907 1.00 0.00 H new ATOM 0 HE ARG A 64 -19.833 9.543 -0.165 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -20.299 6.150 0.794 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -20.736 6.576 2.452 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -20.389 10.049 1.957 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -20.786 8.766 3.104 1.00 0.00 H new ATOM 995 N ALA A 65 -16.825 6.429 -5.664 1.00 0.00 N ATOM 996 CA ALA A 65 -16.555 5.721 -6.900 1.00 0.00 C ATOM 997 C ALA A 65 -15.701 4.482 -6.646 1.00 0.00 C ATOM 998 O ALA A 65 -15.953 3.437 -7.240 1.00 0.00 O ATOM 999 CB ALA A 65 -15.836 6.664 -7.862 1.00 0.00 C ATOM 0 H ALA A 65 -16.365 7.336 -5.589 1.00 0.00 H new ATOM 0 HA ALA A 65 -17.499 5.392 -7.335 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -15.628 6.142 -8.796 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -16.467 7.529 -8.063 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -14.899 6.995 -7.415 1.00 0.00 H new ATOM 1005 N ALA A 66 -14.696 4.587 -5.768 1.00 0.00 N ATOM 1006 CA ALA A 66 -13.828 3.450 -5.484 1.00 0.00 C ATOM 1007 C ALA A 66 -14.312 2.631 -4.290 1.00 0.00 C ATOM 1008 O ALA A 66 -14.056 1.429 -4.230 1.00 0.00 O ATOM 1009 CB ALA A 66 -12.408 3.957 -5.264 1.00 0.00 C ATOM 0 H ALA A 66 -14.470 5.437 -5.251 1.00 0.00 H new ATOM 0 HA ALA A 66 -13.851 2.776 -6.340 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -11.750 3.115 -5.051 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -12.062 4.470 -6.161 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -12.395 4.650 -4.422 1.00 0.00 H new ATOM 1015 N VAL A 67 -15.011 3.258 -3.341 1.00 0.00 N ATOM 1016 CA VAL A 67 -15.564 2.552 -2.191 1.00 0.00 C ATOM 1017 C VAL A 67 -16.687 1.619 -2.639 1.00 0.00 C ATOM 1018 O VAL A 67 -17.011 0.659 -1.941 1.00 0.00 O ATOM 1019 CB VAL A 67 -16.018 3.554 -1.120 1.00 0.00 C ATOM 1020 CG1 VAL A 67 -16.951 2.902 -0.104 1.00 0.00 C ATOM 1021 CG2 VAL A 67 -14.795 4.085 -0.380 1.00 0.00 C ATOM 0 H VAL A 67 -15.206 4.259 -3.350 1.00 0.00 H new ATOM 0 HA VAL A 67 -14.793 1.930 -1.736 1.00 0.00 H new ATOM 0 HB VAL A 67 -16.554 4.361 -1.620 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -17.253 3.640 0.639 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -17.835 2.519 -0.615 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -16.433 2.080 0.390 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -15.112 4.797 0.382 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -14.268 3.257 0.094 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -14.129 4.581 -1.086 1.00 0.00 H new ATOM 1031 N ALA A 68 -17.279 1.891 -3.804 1.00 0.00 N ATOM 1032 CA ALA A 68 -18.260 0.997 -4.403 1.00 0.00 C ATOM 1033 C ALA A 68 -17.715 0.314 -5.662 1.00 0.00 C ATOM 1034 O ALA A 68 -18.335 -0.621 -6.164 1.00 0.00 O ATOM 1035 CB ALA A 68 -19.530 1.789 -4.707 1.00 0.00 C ATOM 0 H ALA A 68 -17.091 2.731 -4.351 1.00 0.00 H new ATOM 0 HA ALA A 68 -18.490 0.200 -3.696 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -20.272 1.129 -5.156 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -19.928 2.207 -3.782 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -19.297 2.598 -5.400 1.00 0.00 H new ATOM 1041 N GLY A 69 -16.566 0.766 -6.180 1.00 0.00 N ATOM 1042 CA GLY A 69 -15.993 0.210 -7.400 1.00 0.00 C ATOM 1043 C GLY A 69 -14.944 -0.877 -7.160 1.00 0.00 C ATOM 1044 O GLY A 69 -14.760 -1.738 -8.015 1.00 0.00 O ATOM 0 H GLY A 69 -16.017 1.519 -5.766 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -16.796 -0.204 -8.010 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -15.539 1.017 -7.976 1.00 0.00 H new ATOM 1048 N GLU A 70 -14.257 -0.852 -6.014 1.00 0.00 N ATOM 1049 CA GLU A 70 -13.183 -1.797 -5.711 1.00 0.00 C ATOM 1050 C GLU A 70 -13.489 -2.628 -4.469 1.00 0.00 C ATOM 1051 O GLU A 70 -12.828 -3.635 -4.238 1.00 0.00 O ATOM 1052 CB GLU A 70 -11.877 -1.029 -5.503 1.00 0.00 C ATOM 1053 CG GLU A 70 -11.376 -0.357 -6.780 1.00 0.00 C ATOM 1054 CD GLU A 70 -10.865 -1.384 -7.787 1.00 0.00 C ATOM 1055 OE1 GLU A 70 -9.663 -1.713 -7.716 1.00 0.00 O ATOM 1056 OE2 GLU A 70 -11.677 -1.835 -8.626 1.00 0.00 O ATOM 0 H GLU A 70 -14.431 -0.175 -5.271 1.00 0.00 H new ATOM 0 HA GLU A 70 -13.091 -2.482 -6.554 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -12.025 -0.272 -4.733 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -11.113 -1.713 -5.134 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -12.183 0.224 -7.228 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -10.577 0.343 -6.535 1.00 0.00 H new ATOM 1063 N ASP A 71 -14.473 -2.236 -3.661 1.00 0.00 N ATOM 1064 CA ASP A 71 -14.756 -2.960 -2.435 1.00 0.00 C ATOM 1065 C ASP A 71 -15.116 -4.415 -2.737 1.00 0.00 C ATOM 1066 O ASP A 71 -15.960 -4.692 -3.589 1.00 0.00 O ATOM 1067 CB ASP A 71 -15.872 -2.248 -1.675 1.00 0.00 C ATOM 1068 CG ASP A 71 -16.308 -3.059 -0.459 1.00 0.00 C ATOM 1069 OD1 ASP A 71 -15.405 -3.540 0.260 1.00 0.00 O ATOM 1070 OD2 ASP A 71 -17.537 -3.194 -0.259 1.00 0.00 O ATOM 0 H ASP A 71 -15.077 -1.432 -3.834 1.00 0.00 H new ATOM 0 HA ASP A 71 -13.865 -2.976 -1.807 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -15.529 -1.264 -1.356 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -16.724 -2.090 -2.336 1.00 0.00 H new ATOM 1075 N GLY A 72 -14.466 -5.345 -2.029 1.00 0.00 N ATOM 1076 CA GLY A 72 -14.717 -6.769 -2.184 1.00 0.00 C ATOM 1077 C GLY A 72 -13.908 -7.383 -3.327 1.00 0.00 C ATOM 1078 O GLY A 72 -14.203 -8.506 -3.736 1.00 0.00 O ATOM 0 H GLY A 72 -13.752 -5.125 -1.334 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -14.473 -7.281 -1.254 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -15.779 -6.930 -2.367 1.00 0.00 H new ATOM 1082 N ARG A 73 -12.899 -6.673 -3.849 1.00 0.00 N ATOM 1083 CA ARG A 73 -12.083 -7.191 -4.943 1.00 0.00 C ATOM 1084 C ARG A 73 -10.854 -7.926 -4.416 1.00 0.00 C ATOM 1085 O ARG A 73 -10.461 -7.730 -3.272 1.00 0.00 O ATOM 1086 CB ARG A 73 -11.693 -6.082 -5.924 1.00 0.00 C ATOM 1087 CG ARG A 73 -10.485 -5.268 -5.457 1.00 0.00 C ATOM 1088 CD ARG A 73 -9.877 -4.521 -6.643 1.00 0.00 C ATOM 1089 NE ARG A 73 -9.152 -5.446 -7.523 1.00 0.00 N ATOM 1090 CZ ARG A 73 -8.395 -5.066 -8.557 1.00 0.00 C ATOM 1091 NH1 ARG A 73 -8.266 -3.779 -8.872 1.00 0.00 N ATOM 1092 NH2 ARG A 73 -7.760 -5.983 -9.283 1.00 0.00 N ATOM 0 H ARG A 73 -12.633 -5.742 -3.529 1.00 0.00 H new ATOM 0 HA ARG A 73 -12.688 -7.913 -5.491 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -11.472 -6.525 -6.895 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -12.542 -5.413 -6.064 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -10.788 -4.560 -4.686 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -9.741 -5.927 -5.010 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -10.664 -4.019 -7.205 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -9.199 -3.747 -6.283 1.00 0.00 H new ATOM 0 HE ARG A 73 -9.231 -6.445 -7.333 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -8.748 -3.068 -8.322 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -7.685 -3.504 -9.664 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -7.852 -6.972 -9.050 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -7.181 -5.697 -10.073 1.00 0.00 H new ATOM 1106 N MET A 74 -10.244 -8.766 -5.252 1.00 0.00 N ATOM 1107 CA MET A 74 -9.026 -9.464 -4.881 1.00 0.00 C ATOM 1108 C MET A 74 -7.797 -8.755 -5.440 1.00 0.00 C ATOM 1109 O MET A 74 -7.801 -8.293 -6.583 1.00 0.00 O ATOM 1110 CB MET A 74 -9.094 -10.922 -5.333 1.00 0.00 C ATOM 1111 CG MET A 74 -7.748 -11.605 -5.078 1.00 0.00 C ATOM 1112 SD MET A 74 -7.832 -13.407 -4.986 1.00 0.00 S ATOM 1113 CE MET A 74 -8.614 -13.517 -3.358 1.00 0.00 C ATOM 0 H MET A 74 -10.579 -8.976 -6.192 1.00 0.00 H new ATOM 0 HA MET A 74 -8.934 -9.454 -3.795 1.00 0.00 H new ATOM 0 HB2 MET A 74 -9.885 -11.443 -4.794 1.00 0.00 H new ATOM 0 HB3 MET A 74 -9.343 -10.973 -6.393 1.00 0.00 H new ATOM 0 HG2 MET A 74 -7.056 -11.326 -5.873 1.00 0.00 H new ATOM 0 HG3 MET A 74 -7.332 -11.225 -4.145 1.00 0.00 H new ATOM 0 HE1 MET A 74 -8.088 -14.253 -2.751 1.00 0.00 H new ATOM 0 HE2 MET A 74 -8.571 -12.545 -2.867 1.00 0.00 H new ATOM 0 HE3 MET A 74 -9.655 -13.819 -3.474 1.00 0.00 H new ATOM 1123 N ILE A 75 -6.747 -8.680 -4.617 1.00 0.00 N ATOM 1124 CA ILE A 75 -5.453 -8.132 -4.987 1.00 0.00 C ATOM 1125 C ILE A 75 -4.374 -8.960 -4.293 1.00 0.00 C ATOM 1126 O ILE A 75 -4.484 -9.262 -3.107 1.00 0.00 O ATOM 1127 CB ILE A 75 -5.353 -6.657 -4.568 1.00 0.00 C ATOM 1128 CG1 ILE A 75 -6.525 -5.850 -5.145 1.00 0.00 C ATOM 1129 CG2 ILE A 75 -4.021 -6.059 -5.026 1.00 0.00 C ATOM 1130 CD1 ILE A 75 -6.547 -4.403 -4.655 1.00 0.00 C ATOM 0 H ILE A 75 -6.781 -9.009 -3.652 1.00 0.00 H new ATOM 0 HA ILE A 75 -5.322 -8.177 -6.068 1.00 0.00 H new ATOM 0 HB ILE A 75 -5.401 -6.607 -3.480 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -6.465 -5.859 -6.233 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -7.463 -6.335 -4.873 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -3.967 -5.014 -4.721 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -3.199 -6.612 -4.572 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -3.947 -6.124 -6.112 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -7.397 -3.882 -5.096 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -6.636 -4.388 -3.569 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -5.623 -3.905 -4.950 1.00 0.00 H new ATOM 1142 N ALA A 76 -3.330 -9.331 -5.037 1.00 0.00 N ATOM 1143 CA ALA A 76 -2.210 -10.110 -4.530 1.00 0.00 C ATOM 1144 C ALA A 76 -2.620 -11.399 -3.799 1.00 0.00 C ATOM 1145 O ALA A 76 -1.824 -11.945 -3.039 1.00 0.00 O ATOM 1146 CB ALA A 76 -1.316 -9.214 -3.673 1.00 0.00 C ATOM 0 H ALA A 76 -3.242 -9.092 -6.025 1.00 0.00 H new ATOM 0 HA ALA A 76 -1.645 -10.465 -5.392 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -0.476 -9.795 -3.292 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -0.941 -8.389 -4.278 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -1.892 -8.818 -2.837 1.00 0.00 H new ATOM 1152 N GLY A 77 -3.845 -11.894 -4.015 1.00 0.00 N ATOM 1153 CA GLY A 77 -4.281 -13.176 -3.475 1.00 0.00 C ATOM 1154 C GLY A 77 -5.224 -13.059 -2.280 1.00 0.00 C ATOM 1155 O GLY A 77 -5.655 -14.080 -1.749 1.00 0.00 O ATOM 0 H GLY A 77 -4.556 -11.415 -4.568 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -4.779 -13.740 -4.264 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -3.404 -13.750 -3.177 1.00 0.00 H new ATOM 1159 N GLN A 78 -5.552 -11.838 -1.847 1.00 0.00 N ATOM 1160 CA GLN A 78 -6.501 -11.614 -0.761 1.00 0.00 C ATOM 1161 C GLN A 78 -7.495 -10.531 -1.149 1.00 0.00 C ATOM 1162 O GLN A 78 -7.229 -9.709 -2.022 1.00 0.00 O ATOM 1163 CB GLN A 78 -5.778 -11.211 0.529 1.00 0.00 C ATOM 1164 CG GLN A 78 -5.039 -12.390 1.170 1.00 0.00 C ATOM 1165 CD GLN A 78 -3.557 -12.083 1.321 1.00 0.00 C ATOM 1166 OE1 GLN A 78 -3.063 -11.888 2.430 1.00 0.00 O ATOM 1167 NE2 GLN A 78 -2.840 -12.036 0.203 1.00 0.00 N ATOM 0 H GLN A 78 -5.166 -10.980 -2.241 1.00 0.00 H new ATOM 0 HA GLN A 78 -7.033 -12.548 -0.582 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -5.067 -10.414 0.311 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -6.501 -10.809 1.238 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -5.471 -12.608 2.147 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -5.169 -13.282 0.558 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -3.288 -12.204 -0.698 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -1.841 -11.832 0.246 1.00 0.00 H new ATOM 1176 N VAL A 79 -8.655 -10.538 -0.492 1.00 0.00 N ATOM 1177 CA VAL A 79 -9.687 -9.533 -0.703 1.00 0.00 C ATOM 1178 C VAL A 79 -9.527 -8.438 0.341 1.00 0.00 C ATOM 1179 O VAL A 79 -9.114 -8.703 1.466 1.00 0.00 O ATOM 1180 CB VAL A 79 -11.080 -10.167 -0.649 1.00 0.00 C ATOM 1181 CG1 VAL A 79 -12.186 -9.117 -0.786 1.00 0.00 C ATOM 1182 CG2 VAL A 79 -11.238 -11.176 -1.786 1.00 0.00 C ATOM 0 H VAL A 79 -8.902 -11.244 0.202 1.00 0.00 H new ATOM 0 HA VAL A 79 -9.578 -9.093 -1.694 1.00 0.00 H new ATOM 0 HB VAL A 79 -11.174 -10.657 0.320 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -13.159 -9.606 -0.743 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -12.106 -8.396 0.027 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -12.081 -8.601 -1.740 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -12.231 -11.623 -1.741 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -11.111 -10.669 -2.743 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -10.484 -11.957 -1.687 1.00 0.00 H new ATOM 1192 N LEU A 80 -9.861 -7.208 -0.046 1.00 0.00 N ATOM 1193 CA LEU A 80 -9.743 -6.041 0.808 1.00 0.00 C ATOM 1194 C LEU A 80 -11.115 -5.429 1.042 1.00 0.00 C ATOM 1195 O LEU A 80 -11.964 -5.410 0.150 1.00 0.00 O ATOM 1196 CB LEU A 80 -8.727 -5.012 0.277 1.00 0.00 C ATOM 1197 CG LEU A 80 -8.404 -5.016 -1.222 1.00 0.00 C ATOM 1198 CD1 LEU A 80 -7.677 -6.285 -1.667 1.00 0.00 C ATOM 1199 CD2 LEU A 80 -9.652 -4.799 -2.069 1.00 0.00 C ATOM 0 H LEU A 80 -10.225 -6.998 -0.975 1.00 0.00 H new ATOM 0 HA LEU A 80 -9.344 -6.369 1.768 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -9.094 -4.019 0.535 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -7.792 -5.157 0.819 1.00 0.00 H new ATOM 0 HG LEU A 80 -7.726 -4.178 -1.382 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -7.474 -6.232 -2.737 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.736 -6.375 -1.123 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -8.301 -7.154 -1.459 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -9.381 -4.808 -3.125 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -10.369 -5.596 -1.871 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -10.100 -3.837 -1.818 1.00 0.00 H new ATOM 1211 N ASP A 81 -11.319 -4.929 2.258 1.00 0.00 N ATOM 1212 CA ASP A 81 -12.574 -4.338 2.678 1.00 0.00 C ATOM 1213 C ASP A 81 -12.439 -2.824 2.579 1.00 0.00 C ATOM 1214 O ASP A 81 -11.813 -2.191 3.429 1.00 0.00 O ATOM 1215 CB ASP A 81 -12.878 -4.797 4.107 1.00 0.00 C ATOM 1216 CG ASP A 81 -14.206 -4.252 4.624 1.00 0.00 C ATOM 1217 OD1 ASP A 81 -15.176 -4.224 3.833 1.00 0.00 O ATOM 1218 OD2 ASP A 81 -14.239 -3.866 5.815 1.00 0.00 O ATOM 0 H ASP A 81 -10.603 -4.926 2.985 1.00 0.00 H new ATOM 0 HA ASP A 81 -13.403 -4.652 2.044 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -12.899 -5.886 4.139 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -12.074 -4.474 4.768 1.00 0.00 H new ATOM 1223 N ILE A 82 -13.032 -2.244 1.532 1.00 0.00 N ATOM 1224 CA ILE A 82 -12.912 -0.821 1.257 1.00 0.00 C ATOM 1225 C ILE A 82 -14.164 -0.097 1.742 1.00 0.00 C ATOM 1226 O ILE A 82 -15.275 -0.598 1.591 1.00 0.00 O ATOM 1227 CB ILE A 82 -12.661 -0.618 -0.237 1.00 0.00 C ATOM 1228 CG1 ILE A 82 -11.362 -1.331 -0.636 1.00 0.00 C ATOM 1229 CG2 ILE A 82 -12.568 0.870 -0.570 1.00 0.00 C ATOM 1230 CD1 ILE A 82 -11.265 -1.459 -2.152 1.00 0.00 C ATOM 0 H ILE A 82 -13.605 -2.750 0.857 1.00 0.00 H new ATOM 0 HA ILE A 82 -12.065 -0.396 1.796 1.00 0.00 H new ATOM 0 HB ILE A 82 -13.495 -1.041 -0.797 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -10.504 -0.775 -0.257 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -11.328 -2.320 -0.179 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -12.389 0.993 -1.638 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -13.502 1.362 -0.299 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -11.746 1.317 -0.011 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -10.337 -1.967 -2.416 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -12.112 -2.035 -2.523 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -11.276 -0.466 -2.602 1.00 0.00 H new ATOM 1242 N ASN A 83 -13.981 1.088 2.328 1.00 0.00 N ATOM 1243 CA ASN A 83 -15.083 1.822 2.919 1.00 0.00 C ATOM 1244 C ASN A 83 -14.735 3.303 3.036 1.00 0.00 C ATOM 1245 O ASN A 83 -13.568 3.684 2.946 1.00 0.00 O ATOM 1246 CB ASN A 83 -15.371 1.224 4.300 1.00 0.00 C ATOM 1247 CG ASN A 83 -16.744 1.617 4.829 1.00 0.00 C ATOM 1248 OD1 ASN A 83 -17.733 0.947 4.550 1.00 0.00 O ATOM 1249 ND2 ASN A 83 -16.821 2.701 5.594 1.00 0.00 N ATOM 0 H ASN A 83 -13.076 1.553 2.402 1.00 0.00 H new ATOM 0 HA ASN A 83 -15.968 1.740 2.288 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -15.304 0.138 4.243 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -14.606 1.554 5.003 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -17.722 2.998 5.968 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -15.979 3.236 5.807 1.00 0.00 H new ATOM 1256 N LEU A 84 -15.751 4.143 3.242 1.00 0.00 N ATOM 1257 CA LEU A 84 -15.543 5.553 3.521 1.00 0.00 C ATOM 1258 C LEU A 84 -14.833 5.660 4.872 1.00 0.00 C ATOM 1259 O LEU A 84 -15.077 4.844 5.759 1.00 0.00 O ATOM 1260 CB LEU A 84 -16.902 6.262 3.543 1.00 0.00 C ATOM 1261 CG LEU A 84 -17.002 7.454 2.586 1.00 0.00 C ATOM 1262 CD1 LEU A 84 -16.031 8.556 2.992 1.00 0.00 C ATOM 1263 CD2 LEU A 84 -16.730 7.055 1.135 1.00 0.00 C ATOM 0 H LEU A 84 -16.731 3.862 3.219 1.00 0.00 H new ATOM 0 HA LEU A 84 -14.929 6.029 2.756 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -17.680 5.541 3.291 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -17.104 6.606 4.557 1.00 0.00 H new ATOM 0 HG LEU A 84 -18.026 7.821 2.653 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -16.119 9.392 2.299 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -16.266 8.895 4.001 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -15.012 8.170 2.967 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -16.812 7.933 0.495 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -15.725 6.640 1.054 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -17.458 6.307 0.821 1.00 0.00 H new ATOM 1275 N ALA A 85 -13.959 6.652 5.050 1.00 0.00 N ATOM 1276 CA ALA A 85 -13.130 6.723 6.245 1.00 0.00 C ATOM 1277 C ALA A 85 -13.863 7.298 7.455 1.00 0.00 C ATOM 1278 O ALA A 85 -13.283 7.400 8.533 1.00 0.00 O ATOM 1279 CB ALA A 85 -11.869 7.519 5.935 1.00 0.00 C ATOM 0 H ALA A 85 -13.810 7.411 4.384 1.00 0.00 H new ATOM 0 HA ALA A 85 -12.864 5.703 6.523 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -11.245 7.575 6.827 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -11.315 7.027 5.135 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -12.143 8.526 5.620 1.00 0.00 H new ATOM 1285 N ALA A 86 -15.130 7.675 7.287 1.00 0.00 N ATOM 1286 CA ALA A 86 -15.947 8.202 8.367 1.00 0.00 C ATOM 1287 C ALA A 86 -17.274 7.450 8.472 1.00 0.00 C ATOM 1288 O ALA A 86 -18.199 7.914 9.136 1.00 0.00 O ATOM 1289 CB ALA A 86 -16.162 9.695 8.147 1.00 0.00 C ATOM 0 H ALA A 86 -15.616 7.621 6.392 1.00 0.00 H new ATOM 0 HA ALA A 86 -15.430 8.057 9.315 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -16.774 10.097 8.954 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -15.198 10.204 8.135 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -16.668 9.853 7.194 1.00 0.00 H new